Publikationen von Kalishankar Bhattacharyya

Zeitschriftenartikel (5)

2022
Zeitschriftenartikel
Yang, X.; Reijerse, E. J.; Bhattacharyya, K.; Leutzsch, M.; Kochius, M.; Nöthling, N.; Busch, J.; Schnegg, A.; Auer, A. A.; Cornella, J.: Radical Activation of N–H and O–H Bonds at Bismuth(II). Journal of the American Chemical Society 144 (36), S. 16535 - 16544 (2022)
Zeitschriftenartikel
Ghosh, S.; Bhattacharyya, K.: Origin of the Failure of Density Functional Theories in Predicting Inverted Singlet–Triplet Gaps. The Journal of Physical Chemistry A 126 (8), S. 1378 - 1385 (2022)
2021
Zeitschriftenartikel
Bhattacharyya, K.: Can TDDFT render the electronic excited states ordering of Azine derivative? A closer investigation with DLPNO-STEOM-CCSD. Chemical Physics Letters 779 (9), 138827 (2021)
Zeitschriftenartikel
Bhattacharyya, K.; Poidevin, C.; Auer, A. A.: Structure and Reactivity of IrOx Nanoparticles for the Oxygen Evolution Reaction in Electrocatalysis: An Electronic Structure Theory Study. The Journal of Physical Chemistry C 125 (8), S. 4379 - 4390 (2021)
2020
Zeitschriftenartikel
Fritzsche, A.-M.; Scholz, S.; Krasowska, M.; Bhattacharyya, K.; Toma, A. M.; Silvestru, C.; Korb, M.; Rüffer, T.; Lang, H.; Auer, A. A. et al.; Mehring, M.: Evaluation of bismuth-based dispersion energy donors – synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives. Physical Chemistry Chemical Physics 22 (18), S. 10189 - 10211 (2020)
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